ethyl 3-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[(3R)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=C(C(C(C(=O)N3)C#N)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=C(C([C@@H](C(=O)N3)C#N)(C)C)C#N

InChI

InChI=1S/C21H19N3O4S/c1-4-27-20(26)17-13(12-7-5-6-8-16(12)28-17)11-29-19-15(10-23)21(2,3)14(9-22)18(25)24-19/h5-8,14H,4,11H2,1-3H3,(H,24,25)/t14-/m1/s1